| Accelerated CDOCKER with GPUs, parallel simulated annealing, and fast Fourier transforms X Ding, Y Wu, Y Wang, JZ Vilseck, CL Brooks III Journal of chemical theory and computation 16 (6), 3910-3919, 2020 | 44 | 2020 |
| Electrocatalytic CO2 Reduction by Cobalt Bis(pyridylmonoimine) Complexes: Effect of Ligand Flexibility on Catalytic Activity W Nie, Y Wang, T Zheng, A Ibrahim, Z Xu, CCL McCrory ACS Catalysis 10 (9), 4942-4959, 2020 | 26 | 2020 |
| Frustration and folding of a TIM barrel protein KT Halloran, Y Wang, K Arora, S Chakravarthy, TC Irving, O Bilsel, ... Proceedings of the National Academy of Sciences 116 (33), 16378-16383, 2019 | 23 | 2019 |
| Electrostatic Forces Control the Negative Allosteric Regulation in a Disordered Protein Switch Y Wang, CL Brooks III The Journal of Physical Chemistry Letters 11 (3), 864-868, 2020 | 17 | 2020 |
| Tuna: A static analysis approach to optimizing deep neural networks Y Wang, X Zhou, Y Wang, R Li, Y Wu, V Sharma arXiv preprint arXiv:2104.14641, 2021 | 10 | 2021 |
| Enhanced Sampling Applied to Modeling Allosteric Regulation in Transcription Y Wang, CL Brooks III The Journal of Physical Chemistry Letters 10 (19), 5963-5968, 2019 | 10 | 2019 |
| A theoretical study of the structures and electronic transitions of small silicon nitride clusters (SinNm, n+ m⩽ 4) E Owusu-Ansah, Y Wang, Y Shi Journal of Molecular Spectroscopy 330, 200-210, 2016 | 6 | 2016 |
| LLMem: Estimating GPU Memory Usage for Fine-Tuning Pre-Trained LLMs T Kim, Y Wang, V Chaturvedi, L Gupta, S Kim, Y Kwon, S Ha arXiv preprint arXiv:2404.10933, 2024 | | 2024 |
| Syncfree optimizers and compiler improvements for efficient model training S Subramanian, C Barrett, Y Wang, R Das, H Tummalacherla, L Ravi, ... 2023 IEEE 4th International Conference on Pattern Recognition and Machine …, 2023 | | 2023 |
| Efficient implementation of flexible integral-based Generalized Born implicit solvent model Y Wang, C Brooks ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019 | | 2019 |
| Advances in Coarse-grained Models for Protein Folding and Protein-protein Interactions Y Wang | | 2019 |
